methyl 4-(4-bromophenyl)-2-(decanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-(decanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-(decanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-(1-oxodecylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-(decanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(caprylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H28BrNO3S MolecularWeight: 466.43162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CCCCCCCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C22H28BrNO3S/c1-3-4-5-6-7-8-9-10-19(25)24-21-20(22(26)27-2)18(15-28-21)16-11-13-17(23)14-12-16/h11-15H,3-10H2,1-2H3,(H,24,25)